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added lattice for (bct) beta- Sn.

This commit is contained in:
Aritra Chakraborty 2015-06-27 14:55:30 +00:00
parent 129026662c
commit e61050dcde
1 changed files with 300 additions and 11 deletions
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311
code/lattice.f90
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@ -16,13 +16,13 @@ module lattice
implicit none
private
integer(pInt), parameter, public :: &
LATTICE_maxNslipFamily = 6_pInt, & !< max # of slip system families over lattice structures
LATTICE_maxNslipFamily = 10_pInt, & !< max # of slip system families over lattice structures
LATTICE_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures
LATTICE_maxNtransFamily = 2_pInt, & !< max # of transformation system families over lattice structures
LATTICE_maxNcleavageFamily = 3_pInt, & !< max # of transformation system families over lattice structures
LATTICE_maxNslip = 33_pInt, & !< max # of slip systems over lattice structures
LATTICE_maxNtwin = 24_pInt, & !< max # of twin systems over lattice structures
LATTICE_maxNinteraction = 42_pInt, & !< max # of interaction types (in hardening matrix part)
LATTICE_maxNinteraction = 110_pInt, & !< max # of interaction types (in hardening matrix part)
LATTICE_maxNnonSchmid = 6_pInt, & !< max # of non schmid contributions over lattice structures
LATTICE_maxNtrans = 12_pInt, & !< max # of transformations over lattice structures
LATTICE_maxNcleavage = 9_pInt !< max # of cleavage over lattice structures
@ -80,7 +80,7 @@ module lattice
!--------------------------------------------------------------------------------------------------
! fcc
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
LATTICE_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0],pInt) !< total # of slip systems per family for fcc
LATTICE_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< total # of slip systems per family for fcc
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< total # of twin systems per family for fcc
@ -325,7 +325,7 @@ module lattice
!--------------------------------------------------------------------------------------------------
! bcc
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
LATTICE_bcc_NslipSystem = int([ 12, 12, 0, 0, 0, 0], pInt) !< total # of slip systems per family for bcc
LATTICE_bcc_NslipSystem = int([ 12, 12, 0, 0, 0, 0, 0, 0, 0, 0], pInt) !< total # of slip systems per family for bcc
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
LATTICE_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< total # of twin systems per family for bcc
@ -506,8 +506,6 @@ module lattice
!< 1: self interaction
!< 2: collinear interaction
!< 3: other interaction
real(pReal), dimension(3+3,LATTICE_bcc_Ncleavage), parameter, private :: &
LATTICE_bcc_systemCleavage = reshape(real([&
! Cleavage direction Plane normal
@ -525,7 +523,7 @@ module lattice
!--------------------------------------------------------------------------------------------------
! hex
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
lattice_hex_NslipSystem = int([ 3, 3, 3, 6, 12, 6],pInt) !< # of slip systems per family for hex
lattice_hex_NslipSystem = int([ 3, 3, 3, 6, 12, 6, 0, 0, 0, 0],pInt) !< # of slip systems per family for hex
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex
@ -688,7 +686,7 @@ module lattice
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,36,37, &
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,37,36 &
!
],pInt),[LATTICE_hex_Nslip,LATTICE_hex_Nslip],order=[2,1]) !< Slip--slip interaction types for hex (32? in total)
],pInt),[LATTICE_hex_Nslip,LATTICE_hex_Nslip],order=[2,1]) !< Slip--slip interaction types for hex (onion peel naming scheme)
integer(pInt), dimension(LATTICE_hex_Nslip,LATTICE_hex_Ntwin), parameter, public :: &
LATTICE_hex_interactionSlipTwin = reshape(int( [&
@ -803,6 +801,216 @@ module lattice
0, 0, 0, 1, 0, 1,-1, 0 &
],pReal),[ 4_pInt + 4_pInt,LATTICE_hex_Ncleavage])
!--------------------------------------------------------------------------------------------------
! bct
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
LATTICE_bct_NslipSystem = int([2, 2, 2, 4, 2, 4, 2, 2, 4, 8 ],pInt) !< # of slip systems per family for bct (Sn) Bieler J. Electr Mater 2009
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
LATTICE_bct_NtwinSystem = int([0, 0, 0, 0], pInt) !< total # of twin systems per family for bct-example
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
LATTICE_bct_NtransSystem = int([0,0],pInt) !< total # of transformation systems per family for bcc
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
LATTICE_bct_NcleavageSystem = int([0,0,0],pInt) !< total # of cleavage systems per family for bcc
integer(pInt), parameter , private :: &
LATTICE_bct_Nslip = 32_pInt, & ! sum(lattice_bct_NslipSystem), !< total # of slip systems for bct
LATTICE_bct_Ntwin = 0_pInt, & ! sum(lattice_bcc_NtwinSystem) !< total # of twin systems for bcc
LATTICE_bct_NnonSchmid = 0_pInt, & !< # of non-Schmid contributions for bcc
LATTICE_bct_Ntrans = 0_pInt, & !< total # of transformations for bcc
LATTICE_bct_Ncleavage = 0_pInt !< total # of transformations for bcc
real(pReal), dimension(3+3,LATTICE_bct_Nslip), parameter, private :: &
LATTICE_bct_systemSlip = reshape(real([&
! Slip direction Plane normal
! Slip family 1 {100)<001] (Bravais notation {hkl)<uvw] for bct c/a = 0.5456)
0, 0, 1, 1, 0, 0, &
0, 0, 1, 0, 1, 0, &
! Slip family 2 {110)<001]
0, 0, 1, 1, 1, 0, &
0, 0, 1, -1, 1, 0, &
! slip family 3 {100)<010]
0, 1, 0, 1, 0, 0, &
1, 0, 0, 0, 1, 0, &
! Slip family 4 {110)<1-11]
1,-1, 1, 1, 1, 0, &
1,-1,-1, 1, 1, 0, &
-1,-1,-1, -1, 1, 0, &
-1,-1, 1, -1, 1, 0, &
! Slip family 5 {110)<1-10]
1, -1, 0, 1, 1, 0, &
1, 1, 0, 1,-1, 0, &
! Slip family 6 {100)<011]
0, 1, 1, 1, 0, 0, &
0,-1, 1, 1, 0, 0, &
-1, 0, 1, 0, 1, 0, &
1, 0, 1, 0, 1, 0, &
! Slip family 7 {001)<010]
0, 1, 0, 0, 0, 1, &
1, 0, 0, 0, 0, 1, &
! Slip family 8 {001)<110]
1, 1, 0, 0, 0, 1, &
-1, 1, 0, 0, 0, 1, &
! Slip family 9 {011)<01-1]
0, 1,-1, 0, 1, 1, &
0,-1,-1, 0,-1, 1, &
-1, 0,-1, -1, 0, 1, &
1, 0,-1, 1, 0, 1, &
! Slip family 10 {211)<01-1]
0, 1,-1, 2, 1, 1, &
0,-1,-1, 2,-1, 1, &
1, 0,-1, 1, 2, 1, &
-1, 0,-1, -1, 2, 1, &
0, 1,-1, -2, 1, 1, &
0,-1,-1, -2,-1, 1, &
-1, 0,-1, -1,-2, 1, &
1, 0,-1, 1,-2, 1 &
],pReal),[ 3_pInt + 3_pInt,LATTICE_bct_Nslip]) !< slip systems for bct sorted by Bieler
integer(pInt), dimension(LATTICE_bct_Nslip,LATTICE_bct_Nslip), parameter, public :: &
LATTICE_bct_interactionSlipSlip = reshape(int( [&
1,2, 3,3, 7,7, 13,13,13,13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73,&
91, 91, 91, 91, 91, 91, 91, 91,&
2,1, 3,3, 7,7, 13,13,13,13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, &
91, 91, 91, 91, 91, 91, 91, 91,&
6,6, 4,5, 8,8, 14,14,14,14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74,&
92, 92, 92, 92, 92, 92, 92, 92,&
6,6, 5,4, 8,8, 14,14,14,14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, &
92, 92, 92, 92, 92, 92, 92, 92,&
12,12, 11,11, 9,10, 15,15,15,15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75,&
93, 93, 93, 93, 93, 93, 93, 93,&
12,12, 11,11, 10,9, 15,15,15,15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75,&
93, 93, 93, 93, 93, 93, 93, 93,&
20,20, 19,19, 18,18, 16,17,17,17, 24, 24, 34, 34, 34, 34, 46, 46, 60, 60, 76, 76, 76, 76, &
94, 94, 94, 94, 94, 94, 94, 94,&
20,20, 19,19, 18,18, 17,16,17,17, 24, 24, 34, 34, 34, 34, 46, 46, 60, 60, 76, 76, 76, 76, &
94, 94, 94, 94, 94, 94, 94, 94,&
20,20, 19,19, 18,18, 17,17,16,17, 24, 24, 34, 34, 34, 34, 46, 46, 60, 60, 76, 76, 76, 76,&
94, 94, 94, 94, 94, 94, 94, 94,&
20,20, 19,19, 18,18, 17,17,17,16, 24, 24, 34, 34, 34, 34, 46, 46, 60, 60, 76, 76, 76, 76,&
94, 94, 94, 94, 94, 94, 94, 94,&
30,30, 29,29, 28,28, 27,27,27,27, 25, 26, 35, 35, 35, 35, 47, 47, 61, 61, 77, 77, 77, 77, &
95, 95, 95, 95, 95, 95, 95, 95,&
30,30, 29,29, 28,28, 27,27,27,27, 26, 25, 35, 35, 35, 35, 47, 47, 61, 61, 77, 77, 77, 77,&
95, 95, 95, 95, 95, 95, 95, 95,&
42,42, 41,41, 40,40, 39,39,39,39, 38, 38, 36, 37, 37, 37, 48, 48, 62, 62, 78, 78, 78, 78, &
96, 96, 96, 96, 96, 96, 96, 96,&
42,42, 41,41, 40,40, 39,39,39,39, 38, 38, 37, 36, 37, 37, 48, 48, 62, 62, 78, 78, 78, 78, &
96, 96, 96, 96, 96, 96, 96, 96,&
42,42, 41,41, 40,40, 39,39,39,39, 38, 38, 37, 37, 36, 37, 48, 48, 62, 62, 78, 78, 78, 78, &
96, 96, 96, 96, 96, 96, 96, 96,&
42,42, 41,41, 40,40, 39,39,39,39, 38, 38, 37, 37, 37, 36, 48, 48, 62, 62, 78, 78, 78, 78, &
96, 96, 96, 96, 96, 96, 96, 96,&
56,56, 55,55, 54,54, 53,53,53,53, 52, 52, 51, 51, 51, 51, 49, 50, 63, 63, 79, 79, 79, 79, &
97, 97, 97, 97, 97, 97, 97, 97,&
56,56, 55,55, 54,54, 53,53,53,53, 52, 52, 51, 51, 51, 51, 50, 49, 63, 63, 79, 79, 79, 79, &
97, 97, 97, 97, 97, 97, 97, 97,&
72,72, 71,71, 70,70, 69,69,69,69, 68, 68, 67, 67, 67, 67, 66, 66, 64, 65, 80, 80, 80, 80, &
98, 98, 98, 98, 98, 98, 98, 98,&
72,72, 71,71, 70,70, 69,69,69,69, 68, 68, 67, 67, 67, 67, 66, 66, 65, 64, 80, 80, 80, 80,&
98, 98, 98, 98, 98, 98, 98, 98,&
90,90, 89,89, 88,88, 87,87,87,87, 86, 86, 85, 85, 85, 85, 84, 84, 83, 83, 81, 82, 82, 82,&
99, 99, 99, 99, 99, 99, 99, 99,&
90,90, 89,89, 88,88, 87,87,87,87, 86, 86, 85, 85, 85, 85, 84, 84, 83, 83, 82, 81, 82, 82,&
99, 99, 99, 99, 99, 99, 99, 99,&
90,90, 89,89, 88,88, 87,87,87,87, 86, 86, 85, 85, 85, 85, 84, 84, 83, 83, 82, 82, 81, 82,&
99, 99, 99, 99, 99, 99, 99, 99,&
90,90, 89,89, 88,88, 87,87,87,87, 86, 86, 85, 85, 85, 85, 84, 84, 83, 83, 82, 82, 82, 81,&
99, 99, 99, 99, 99, 99, 99, 99,&
110,110, 109,109, 108,108, 107,107,107,107, 106, 106, 105, 105, 105, 105, 104, 104, 103, 103,&
102, 102, 102, 102, 100, 101, 101, 101, 101, 101, 101, 101,&
110,110, 109,109, 108,108, 107,107,107,107, 106, 106, 105, 105, 105, 105, 104, 104, 103, 103,&
102, 102, 102, 102, 101, 100, 101, 101, 101, 101, 101, 101,&
110,110, 109,109, 108,108, 107,107,107,107, 106, 106, 105, 105, 105, 105, 104, 104, 103, 103,&
102, 102, 102, 102, 101, 101, 100, 101, 101, 101, 101, 101,&
110,110, 109,109, 108,108, 107,107,107,107, 106, 106, 105, 105, 105, 105, 104, 104, 103, 103,&
102, 102, 102, 102, 101, 101, 101, 100, 101, 101, 101, 101,&
110,110, 109,109, 108,108, 107,107,107,107, 106, 106, 105, 105, 105, 105, 104, 104, 103, 103,&
102, 102, 102, 102, 101, 101, 101, 101, 100, 101, 101, 101,&
110,110, 109,109, 108,108, 107,107,107,107, 106, 106, 105, 105, 105, 105, 104, 104, 103, 103,&
102, 102, 102, 102, 101, 101, 101, 101, 101, 100, 101, 101,&
110,110, 109,109, 108,108, 107,107,107,107, 106, 106, 105, 105, 105, 105, 104, 104, 103, 103,&
102, 102, 102, 102, 101, 101, 101, 101, 101, 101, 100, 101,&
110,110, 109,109, 108,108, 107,107,107,107, 106, 106, 105, 105, 105, 105, 104, 104, 103, 103,&
102, 102, 102, 102, 101, 101, 101, 101, 101, 101, 101, 100 &
],pInt),[lattice_bct_Nslip,lattice_bct_Nslip],order=[2,1])
! integer(pInt), dimension(LATTICE_bct_Nslip,LATTICE_bct_Ntwin), parameter, public :: &
! LATTICE_bct_interactionSlipTwin = reshape(int( [&
! 1, 1, 2, 2, & ! ---> twin
! 1, 1, 2, 2, & ! |
! ! v slip
! 3, 3, 4, 4, &
! 3, 3, 4, 4, &
!!
! 5, 5, 6, 6, &
! 5, 5, 6, 6, &
!!
! 7, 7, 8, 8, &
! 7, 7, 8, 8, &
! 7, 7, 8, 8, &
! 7, 7, 8, 8, &
!!
! 9, 9, 10, 10, &
! 9, 9, 10, 10, &
! !
! 11, 11, 12, 12, &
! 11, 11, 12, 12, &
! 11, 11, 12, 12, &
! 11, 11, 12, 12, &
!!
! 13, 13, 14, 14, &
! 13, 13, 14, 14, &
! !
! 15, 15, 16, 16, &
! 15, 15, 16, 16, &
!!
! 17, 17, 18, 18, &
! 17, 17, 18, 18, &
! 17, 17, 18, 18, &
! 17, 17, 18, 18, &
!!
! 19, 19, 20, 20, 20, &
! 19, 19, 20, 20, 20, &
! 19, 19, 20, 20, 20, &
! 19, 19, 20, 20, 20, &
! 19, 19, 20, 20, 20, &
! 19, 19, 20, 20, 20, &
! 19, 19, 20, 20, 20, &
! 19, 19, 20, 20, 20 &
! ],pInt),[LATTICE_bct_Nslip,LATTICE_bct_Ntwin],order=[2,1]) !< Slip--twin interaction types for bcc
!
! integer(pInt), dimension(LATTICE_bct_Ntwin,LATTICE_bct_Nslip), parameter, public :: &
! LATTICE_bct_interactionTwinSlip = 1_pInt !< Twin--slip interaction types for bcc @todo not implemented yet
!
! integer(pInt), dimension(LATTICE_bct_Ntwin,LATTICE_bct_Ntwin), parameter, public :: &
! LATTICE_bct_interactionTwinTwin = reshape(int( [&
! 1, 2, &
! 2, 1 &
! ],pInt),[LATTICE_bct_Ntwin,LATTICE_bct_Ntwin],order=[2,1]) !< Twin--twin interaction types for bcc
!
! real(pReal), dimension(3+3,LATTICE_bct_Ncleavage), parameter, private :: &
! LATTICE_bct_systemCleavage = reshape(real([&
! ! Cleavage direction Plane normal
! 1, 1, 1, -1, 0, 1, &
! -1, 1, 1, 1, 1, 0, &
! 1, 1, 1, -1, 1, 0 &
! ],pReal),[ 3_pInt + 3_pInt,LATTICE_bct_Ncleavage])
!--------------------------------------------------------------------------------------------------
! isotropic
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
@ -870,12 +1078,14 @@ module lattice
LATTICE_fcc_ID, &
LATTICE_bcc_ID, &
LATTICE_hex_ID, &
LATTICE_bct_ID, &
LATTICE_ort_ID
end enum
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public, protected :: &
lattice_structure, trans_lattice_structure
integer(pInt), dimension(2), parameter, private :: &
lattice_NsymOperations = [24_pInt,12_pInt]
@ -990,7 +1200,9 @@ real(pReal), dimension(4,36), parameter, private :: &
lattice_qDisorientation, &
LATTICE_fcc_ID, &
LATTICE_bcc_ID, &
LATTICE_bct_ID, &
LATTICE_hex_ID
! LATTICE_spacegroup__ID
contains
@ -1036,7 +1248,7 @@ subroutine lattice_init
integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
integer(pInt) :: section = 0_pInt,i
real(pReal), dimension(:), allocatable :: &
CoverA, & !< c/a ratio for hex type lattice
CoverA, & !!!!!!< c/a ratio for low symmetry type lattice
CoverA_trans, & !< c/a ratio for transformed hex type lattice
a_fcc, & !< lattice parameter a for fcc austenite
a_bcc !< lattice paramater a for bcc martensite
@ -1050,7 +1262,8 @@ subroutine lattice_init
!--------------------------------------------------------------------------------------------------
! consistency checks
if (LATTICE_maxNslip /= maxval([LATTICE_fcc_Nslip,LATTICE_bcc_Nslip,LATTICE_hex_Nslip])) &
if (LATTICE_maxNslip /= maxval([LATTICE_fcc_Nslip,LATTICE_bcc_Nslip,LATTICE_hex_Nslip,LATTICE_bct_Nslip])) &
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNslip')
if (LATTICE_maxNtwin /= maxval([LATTICE_fcc_Ntwin,LATTICE_bcc_Ntwin,LATTICE_hex_Ntwin])) &
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNtwin')
@ -1065,6 +1278,11 @@ subroutine lattice_init
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Nslip')
if (LATTICE_hex_Nslip /= sum(lattice_hex_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Nslip')
if (LATTICE_bct_Nslip /= sum(lattice_bct_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Nslip')
if (LATTICE_fcc_Ntwin /= sum(lattice_fcc_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ntwin')
@ -1072,6 +1290,10 @@ subroutine lattice_init
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ntwin')
if (LATTICE_hex_Ntwin /= sum(lattice_hex_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ntwin')
if (LATTICE_bct_Ntwin /= sum(lattice_bct_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Ntwin')
if (LATTICE_fcc_Ntrans /= sum(lattice_fcc_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ntrans')
@ -1079,6 +1301,8 @@ subroutine lattice_init
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ntrans')
if (LATTICE_hex_Ntrans /= sum(lattice_hex_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ntrans')
if (LATTICE_bct_Ntrans /= sum(lattice_bct_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Ntrans')
if (LATTICE_fcc_Ncleavage /= sum(lattice_fcc_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ncleavage')
@ -1086,6 +1310,8 @@ subroutine lattice_init
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ncleavage')
if (LATTICE_hex_Ncleavage /= sum(lattice_hex_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ncleavage')
if (LATTICE_bct_Ncleavage /= sum(lattice_bct_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Ncleavage')
if (LATTICE_iso_Ncleavage /= sum(lattice_iso_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_iso_Ncleavage')
@ -1093,18 +1319,22 @@ subroutine lattice_init
maxval(lattice_fcc_interactionSlipSlip), &
maxval(lattice_bcc_interactionSlipSlip), &
maxval(lattice_hex_interactionSlipSlip), &
maxval(lattice_bct_interactionSlipSlip), &
!
maxval(lattice_fcc_interactionSlipTwin), &
maxval(lattice_bcc_interactionSlipTwin), &
maxval(lattice_hex_interactionSlipTwin), &
! maxval(lattice_bct_interactionSlipTwin), &
!
maxval(lattice_fcc_interactionTwinSlip), &
maxval(lattice_bcc_interactionTwinSlip), &
maxval(lattice_hex_interactionTwinSlip), &
! maxval(lattice_bct_interactionTwinSlip), &
!
maxval(lattice_fcc_interactionTwinTwin), &
maxval(lattice_bcc_interactionTwinTwin), &
maxval(lattice_hex_interactionTwinTwin))) &
! maxval(lattice_bct_interactionTwinTwin))) &
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNinteraction')
!--------------------------------------------------------------------------------------------------
@ -1217,6 +1447,8 @@ subroutine lattice_init
lattice_structure(section) = LATTICE_bcc_ID
case('hex','hexagonal')
lattice_structure(section) = LATTICE_hex_ID
case('bct')
lattice_structure(section) = LATTICE_bct_ID
case('ort','orthorhombic')
lattice_structure(section) = LATTICE_ort_ID
case default
@ -1334,6 +1566,8 @@ subroutine lattice_init
do i = 1_pInt,Nphases
if ((CoverA(i) < 1.0_pReal .or. CoverA(i) > 2.0_pReal) &
.and. lattice_structure(i) == LATTICE_hex_ID) call IO_error(131_pInt,el=i) ! checking physical significance of c/a
if ((CoverA(i) > 2.0_pReal) &
.and. lattice_structure(i) == LATTICE_bct_ID) call IO_error(131_pInt,el=i) ! checking physical significance of c/a
call lattice_initializeStructure(i, CoverA(i), CoverA_trans(i), a_fcc(i), a_bcc(i))
enddo
@ -1400,6 +1634,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),&
lattice_C66(1:6,1:6,myPhase))
lattice_mu(myPhase) = 0.2_pReal *( lattice_C66(1,1,myPhase) &
- lattice_C66(1,2,myPhase) &
+ 3.0_pReal*lattice_C66(4,4,myPhase)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
@ -1617,6 +1852,47 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
lattice_interactionTwinSlip(1:myNtwin,1:myNslip,myPhase) = lattice_hex_interactionTwinSlip
lattice_interactionTwinTwin(1:myNtwin,1:myNtwin,myPhase) = lattice_hex_interactionTwinTwin
!--------------------------------------------------------------------------------------------------
! bct
case (LATTICE_bct_ID)
myNslip = lattice_bct_Nslip
myNtwin = lattice_bct_Ntwin
myNcleavage = lattice_bct_Ncleavage
do i = 1_pInt,myNslip ! assign slip system vectors
sd(1:2,i) = lattice_bct_systemSlip(1:2,i)
sd(3,i) = lattice_bct_systemSlip(3,i)*CoverA
sn(1:2,i) = lattice_bct_systemSlip(4:5,i)
sn(3,i) = lattice_bct_systemSlip(6,i)/CoverA
sdU = sd(1:3,i) / math_norm3(sd(1:3,i))
snU = sn(1:3,i) / math_norm3(sn(1:3,i))
!used bcc type
! np = math_mul33x3(math_axisAngleToR(sdU,60.0_pReal*INRAD), snU)
! nn = math_mul33x3(math_axisAngleToR(-sdU,60.0_pReal*INRAD), snU)
enddo
! do i = 1_pInt,myNtwin ! assign twin system vectors and shears
! td(1:2,i) = lattice_bct_systemTwin(1:2,i)
! td(3,i) = lattice_bct_systemTwin(3,i)*CoverA
! tn(1:2,i) = lattice_bct_systemTwin(4:5,i)
! tn(3,i) = lattice_bct_systemTwin(6,i)/CoverA
! ts(i) = lattice_bct_shearTwin(i)
! enddo
! do i = 1_pInt, myNcleavage ! assign cleavage system vectors
! cd(1:3,i) = lattice_bct_systemCleavage(1:3,i)/math_norm3(lattice_bct_systemCleavage(1:3,i))
! cn(1:3,i) = lattice_bct_systemCleavage(4:6,i)/math_norm3(lattice_bct_systemCleavage(4:6,i))
! ct(1:3,i) = math_vectorproduct(cd(1:3,i),cn(1:3,i))
! enddo
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bct_NslipSystem
lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_bct_NtwinSystem
lattice_NtransSystem(1:lattice_maxNtransFamily,myPhase) = lattice_bct_NtransSystem
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_bct_NcleavageSystem
lattice_NnonSchmid(myPhase) = lattice_bct_NnonSchmid
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_bct_interactionSlipSlip
! lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myPhase) = lattice_bct_interactionSlipTwin
! lattice_interactionTwinSlip(1:myNtwin,1:myNslip,myPhase) = lattice_bct_interactionTwinSlip
! lattice_interactionTwinTwin(1:myNtwin,1:myNtwin,myPhase) = lattice_bct_interactionTwinTwin
!--------------------------------------------------------------------------------------------------
! orthorhombic (no crystal plasticity)
case (LATTICE_ort_ID)
@ -1753,6 +2029,19 @@ pure function lattice_symmetrizeC66(struct,C66)
lattice_symmetrizeC66(4,4) = C66(4,4)
lattice_symmetrizeC66(5,5) = C66(5,5)
lattice_symmetrizeC66(6,6) = C66(6,6)
case (LATTICE_bct_ID)
lattice_symmetrizeC66(1,1) = C66(1,1)
lattice_symmetrizeC66(2,2) = C66(1,1)
lattice_symmetrizeC66(3,3) = C66(3,3)
lattice_symmetrizeC66(1,2) = C66(1,2)
lattice_symmetrizeC66(2,1) = C66(1,2)
lattice_symmetrizeC66(1,3) = C66(1,3)
lattice_symmetrizeC66(3,1) = C66(1,3)
lattice_symmetrizeC66(2,3) = C66(1,3)
lattice_symmetrizeC66(3,2) = C66(1,3)
lattice_symmetrizeC66(4,4) = C66(4,4)
lattice_symmetrizeC66(5,5) = C66(4,4)
lattice_symmetrizeC66(6,6) = C66(6,6) !J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962
case default
lattice_symmetrizeC66 = C66
end select
@ -1779,7 +2068,7 @@ pure function lattice_symmetrize33(struct,T33)
lattice_symmetrize33(1,1) = T33(1,1)
lattice_symmetrize33(2,2) = T33(1,1)
lattice_symmetrize33(3,3) = T33(3,3)
case (LATTICE_ort_ID)
case (LATTICE_ort_ID,lattice_bct_ID)
lattice_symmetrize33(1,1) = T33(1,1)
lattice_symmetrize33(2,2) = T33(2,2)
lattice_symmetrize33(3,3) = T33(3,3)